azanium 7-methoxycarbonyl-3,4-bis(oxidanylidene)naphthalene-1-sulfonate

Systemtic Name: azanium 7-methoxycarbonyl-3,4-bis(oxidanylidene)naphthalene-1-sulfonate Openeye Name: ammonium 7-methoxycarbonyl-3,4-dioxo-naphthalene-1-sulfonate CAS Name: ammonium 7-methoxycarbonyl-3,4-dioxo-1-naphthalenesulfonate IUPAC Name: azanium 7-methoxycarbonyl-3,4-dioxonaphthalene-1-sulfonate Traditional Name: ammonium 7-carbomethoxy-3,4-diketo-naphthalene-1-sulfonate Formula: C12H11NO7S MolecularWeight: 313.28324

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC2=C(C=C1)C(=O)C(=O)C=C2S(=O)(=O)[O-].[NH4+]

Isomeric SMILES

COC(=O)C1=CC2=C(C=C1)C(=O)C(=O)C=C2S(=O)(=O)[O-].[NH4+]

InChI

InChI=1S/C12H8O7S.H3N/c1-19-12(15)6-2-3-7-8(4-6)10(20(16,17)18)5-9(13)11(7)14;/h2-5H,1H3,(H,16,17,18);1H3